[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium

C7H5F4N2+ — CID 6347219

IUPAC[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium
SMILESNC(=[NH2+])c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F4N2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H3,12,13)/p+1
InChIKeyGWGYDRLEQHDALW-UHFFFAOYSA-O
MW193.12 g/mol
LogP-0.29
Rot. Bonds1

About [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium

[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium (PubChem CID 6347219) has the molecular formula C7H5F4N2+ and a molecular weight of 193.12 g/mol. Its IUPAC name is [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium
PubChem CID6347219
Molecular FormulaC7H5F4N2+
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium
SMILESNC(=[NH2+])c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F4N2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H3,12,13)/p+1
InChIKeyGWGYDRLEQHDALW-UHFFFAOYSA-O
XLogP-0.29
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium?
The IUPAC name of [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium (CID 6347219) is [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium.
What is the SMILES notation for [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium?
The canonical SMILES for [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium is NC(=[NH2+])c1cc(F)c(F)c(F)c1F.
What is the InChIKey of [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium?
The InChIKey is GWGYDRLEQHDALW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H4F4N2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H3,12,13)/p+1.
What are the key properties of [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium?
[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium has a molecular weight of 193.12 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium is sourced from PubChem (CID 6347219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).